NECA H3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H16N6O4
Molecular Weight	312.3095
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[3H]C1=NC2=C(N)N=C([3H])N=C2N1[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC

InChI

InChIKey=JADDQZYHOWSFJD-QKXSMRAISA-N

InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1/i3T,4T

HIDE SMILES / InChI

Molecular Formula	C12H16N6O4
Molecular Weight	312.3095
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:19:13 UTC 2023` Edited by `admin` on `Sat Dec 16 20:19:13 UTC 2023`
Record UNII	8GG6N4T6DD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NECA H3

Common Name

English

[3H]NECA

Common Name

English

β-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl-2,8-t2)-1-deoxy-N-ethyl-

Common Name

English

Ethylcarboxamidoadenosine, 5'-N-[Adenine-2,8-3H]-,

Common Name

English

3H-Neca

Common Name

English

Code System Code Type Description

CAS

151362-68-4

Created by admin on Sat Dec 16 20:19:14 UTC 2023 , Edited by admin on Sat Dec 16 20:19:14 UTC 2023

PRIMARY

FDA UNII

8GG6N4T6DD

Created by admin on Sat Dec 16 20:19:14 UTC 2023 , Edited by admin on Sat Dec 16 20:19:14 UTC 2023

PRIMARY

PUBCHEM

131874103

Created by admin on Sat Dec 16 20:19:14 UTC 2023 , Edited by admin on Sat Dec 16 20:19:14 UTC 2023

PRIMARY

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